6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine

C12H13F3N4O — CID 102720115

IUPAC6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1cc(Oc2cc(C(F)(F)F)cc(N)n2)cn1
InChIInChI=1S/C12H13F3N4O/c1-7(2)19-6-9(5-17-19)20-11-4-8(12(13,14)15)3-10(16)18-11/h3-7H,1-2H3,(H2,16,18)
InChIKeyMMUAWBPYZUVULL-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.25
Rot. Bonds3

About 6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine

6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720115) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720115
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1cc(Oc2cc(C(F)(F)F)cc(N)n2)cn1
InChIInChI=1S/C12H13F3N4O/c1-7(2)19-6-9(5-17-19)20-11-4-8(12(13,14)15)3-10(16)18-11/h3-7H,1-2H3,(H2,16,18)
InChIKeyMMUAWBPYZUVULL-UHFFFAOYSA-N
XLogP3.25
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
CID 116800544
[6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776489
6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine
CID 116806487
6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-amine
CID 116805850
4-(trifluoromethyl)-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-2-amine
CID 102720032
6-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102720089
2-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carbothioamide
CID 114768253
[2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine
CID 116800179
2,4-difluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800554
5-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile
CID 116801286
4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800610
4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine
CID 116801148

Frequently Asked Questions

What is the IUPAC name of 6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine (CID 102720115) is 6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine is CC(C)n1cc(Oc2cc(C(F)(F)F)cc(N)n2)cn1.
What is the InChIKey of 6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MMUAWBPYZUVULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-7(2)19-6-9(5-17-19)20-11-4-8(12(13,14)15)3-10(16)18-11/h3-7H,1-2H3,(H2,16,18).
What are the key properties of 6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine?
6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 286.26 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).